Structure Database (LMSD)

O O OH
Common Name
5-keto palmitic acid
Systematic Name
5-oxo-hexadecanoic acid
Synonyms
LM ID
LMFA01060053
Formula
C16H30O3
Exact Mass
Calculate m/z
270.219495
Sum Composition
FA 16:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
YPCLNPGINNEYIB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h2-14H2,1H3,(H,18,19)
SMILES (Click to copy)
C(=O)(CCCCCCCCCCC)CCCC(=O)O

References

Other Databases

CHEBI ID
185703
LIPIDBANK ID
DFA0437
PubChem CID
5282999

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.45
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.73
Molar Refractivity 78.34

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Created at
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Updated at
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